UCSF

ZINC43705437

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 15 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.18 2.67 -49.03 2 5 1 61 216.257 3
Mid Mid (pH 6-8) -0.18 1.3 -7.75 1 5 0 57 215.249 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )